CID 46855718

6-amino-5-methyl-2h-indazole-7-carboxylic acid

Structural Information

Molecular Formula
C9H9N3O2
SMILES
CC1=CC2=C(C(=C1N)C(=O)O)NN=C2
InChI
InChI=1S/C9H9N3O2/c1-4-2-5-3-11-12-8(5)6(7(4)10)9(13)14/h2-3H,10H2,1H3,(H,11,12)(H,13,14)
InChIKey
SAWNFCCPPRARBZ-UHFFFAOYSA-N
Compound name
6-amino-5-methyl-1H-indazole-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

191.06947 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.07675 138.6
[M+Na]+ 214.05869 149.4
[M-H]- 190.06219 138.9
[M+NH4]+ 209.10329 157.1
[M+K]+ 230.03263 145.2
[M+H-H2O]+ 174.06673 132.4
[M+HCOO]- 236.06767 159.7
[M+CH3COO]- 250.08332 180.8
[M+Na-2H]- 212.04414 143.6
[M]+ 191.06892 137.9
[M]- 191.07002 137.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe